2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C13H14N2O3 — CID 80740545

IUPAC2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C13H14N2O3/c16-11-4-2-1-3-9(11)7-12-14-13(15-18-12)10-5-6-17-8-10/h1-4,10,16H,5-8H2
InChIKeyMQJLHPNLMOINED-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.87
Rot. Bonds3

About 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 80740545) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID80740545
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C13H14N2O3/c16-11-4-2-1-3-9(11)7-12-14-13(15-18-12)10-5-6-17-8-10/h1-4,10,16H,5-8H2
InChIKeyMQJLHPNLMOINED-UHFFFAOYSA-N
XLogP1.87
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115826071
3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
CID 97443860
3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 71971359
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867
3-[(3S)-oxolan-3-yl]-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 97082819
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
4-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methylamino]phenol
CID 65329992
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65334211
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 80740545) is 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1ccccc1Cc1nc(C2CCOC2)no1.
What is the InChIKey of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is MQJLHPNLMOINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11-4-2-1-3-9(11)7-12-14-13(15-18-12)10-5-6-17-8-10/h1-4,10,16H,5-8H2.
What are the key properties of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 246.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 80740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).